3-[2-(3-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide

C23H21F2N3O2 — CID 169229966

IUPAC3-[2-(3-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide
SMILESO=C(CCc1cc(-c2ccc(F)cc2)[nH]c1-c1cccc(F)c1)NC1CCNC1=O
InChIInChI=1S/C23H21F2N3O2/c24-17-7-4-14(5-8-17)20-13-16(22(28-20)15-2-1-3-18(25)12-15)6-9-21(29)27-19-10-11-26-23(19)30/h1-5,7-8,12-13,19,28H,6,9-11H2,(H,26,30)(H,27,29)
InChIKeyGNGAJLMFEILCAU-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.56
Rot. Bonds6

About 3-[2-(3-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide

3-[2-(3-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide (PubChem CID 169229966) has the molecular formula C23H21F2N3O2 and a molecular weight of 409.44 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide
PubChem CID169229966
Molecular FormulaC23H21F2N3O2
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name3-[2-(3-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide
SMILESO=C(CCc1cc(-c2ccc(F)cc2)[nH]c1-c1cccc(F)c1)NC1CCNC1=O
InChIInChI=1S/C23H21F2N3O2/c24-17-7-4-14(5-8-17)20-13-16(22(28-20)15-2-1-3-18(25)12-15)6-9-21(29)27-19-10-11-26-23(19)30/h1-5,7-8,12-13,19,28H,6,9-11H2,(H,26,30)(H,27,29)
InChIKeyGNGAJLMFEILCAU-UHFFFAOYSA-N
XLogP3.56
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide?
The IUPAC name of 3-[2-(3-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide (CID 169229966) is 3-[2-(3-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-[2-(3-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-[2-(3-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide is O=C(CCc1cc(-c2ccc(F)cc2)[nH]c1-c1cccc(F)c1)NC1CCNC1=O.
What is the InChIKey of 3-[2-(3-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide?
The InChIKey is GNGAJLMFEILCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O2/c24-17-7-4-14(5-8-17)20-13-16(22(28-20)15-2-1-3-18(25)12-15)6-9-21(29)27-19-10-11-26-23(19)30/h1-5,7-8,12-13,19,28H,6,9-11H2,(H,26,30)(H,27,29).
What are the key properties of 3-[2-(3-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide?
3-[2-(3-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide has a molecular weight of 409.44 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide is sourced from PubChem (CID 169229966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).